2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]oxane

C25H42O2 — CID 10861694

IUPAC2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]oxane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COC1CCCCO1
InChIInChI=1S/C25H42O2/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-16-24(5)18-20-27-25-17-6-7-19-26-25/h11,13,15,18,25H,6-10,12,14,16-17,19-20H2,1-5H3/b22-13+,23-15+,24-18+
InChIKeyFNIDLMKCOPGPQR-UEMCGOGJSA-N
MW374.61 g/mol
LogP7.68
Rot. Bonds12

About 2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]oxane

2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]oxane (PubChem CID 10861694) has the molecular formula C25H42O2 and a molecular weight of 374.61 g/mol. Its IUPAC name is 2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]oxane.

Molecular Properties

Compound Name2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]oxane
PubChem CID10861694
Molecular FormulaC25H42O2
Molecular Weight374.61 g/mol
Exact Mass374.32
IUPAC Name2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]oxane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COC1CCCCO1
InChIInChI=1S/C25H42O2/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-16-24(5)18-20-27-25-17-6-7-19-26-25/h11,13,15,18,25H,6-10,12,14,16-17,19-20H2,1-5H3/b22-13+,23-15+,24-18+
InChIKeyFNIDLMKCOPGPQR-UEMCGOGJSA-N
XLogP7.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]oxane?
The IUPAC name of 2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]oxane (CID 10861694) is 2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]oxane.
What is the SMILES notation for 2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]oxane?
The canonical SMILES for 2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]oxane is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COC1CCCCO1.
What is the InChIKey of 2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]oxane?
The InChIKey is FNIDLMKCOPGPQR-UEMCGOGJSA-N. The full InChI is InChI=1S/C25H42O2/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-16-24(5)18-20-27-25-17-6-7-19-26-25/h11,13,15,18,25H,6-10,12,14,16-17,19-20H2,1-5H3/b22-13+,23-15+,24-18+.
What are the key properties of 2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]oxane?
2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]oxane has a molecular weight of 374.61 g/mol, XLogP of 7.68, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]oxane is sourced from PubChem (CID 10861694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).